Information card for entry 4085183

Structure parameters

• Formula: C23 H43 O S Sc Si2
• Calculated formula: C23 H43 O S Sc Si2
• SMILES: [Sc]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[c]5([c]1([c]2([c]13[c]45sc(c1)C)C)C)C
• Title of publication: Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene
• Authors of publication: Chen, Runhai; Yao, Changguang; Wang, Meiyan; Xie, Hongyan; Wu, Chunji; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 455
• a: 10.1664 ± 0.0007 Å
• b: 10.9045 ± 0.0008 Å
• c: 24.7776 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2746.8 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No